(2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine

C16H17BrFN — CID 107982155

IUPAC(2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)c2c(C)cc(F)cc2C)c1Br
InChIInChI=1S/C16H17BrFN/c1-9-5-4-6-13(15(9)17)16(19)14-10(2)7-12(18)8-11(14)3/h4-8,16H,19H2,1-3H3
InChIKeyPHIHYZNPIQAMNR-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.56
Rot. Bonds2

About (2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine

(2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine (PubChem CID 107982155) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
PubChem CID107982155
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name(2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)c2c(C)cc(F)cc2C)c1Br
InChIInChI=1S/C16H17BrFN/c1-9-5-4-6-13(15(9)17)16(19)14-10(2)7-12(18)8-11(14)3/h4-8,16H,19H2,1-3H3
InChIKeyPHIHYZNPIQAMNR-UHFFFAOYSA-N
XLogP4.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
(5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985209
(2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 107985786
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107982138
(1R)-1-(2-bromo-3-methylphenyl)ethanamine
CID 96955711
(2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine
CID 107982030
(2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114024273
(4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine
CID 115850579
1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 107982860
(2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107981848
(2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol
CID 107983315
(2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 107981990

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine?
The IUPAC name of (2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine (CID 107982155) is (2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine?
The canonical SMILES for (2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine is Cc1cccc(C(N)c2c(C)cc(F)cc2C)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine?
The InChIKey is PHIHYZNPIQAMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-9-5-4-6-13(15(9)17)16(19)14-10(2)7-12(18)8-11(14)3/h4-8,16H,19H2,1-3H3.
What are the key properties of (2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine?
(2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine has a molecular weight of 322.22 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine is sourced from PubChem (CID 107982155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).